1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea

C18H19N7O — CID 121064857

IUPAC1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)Nc1ccccc1
InChIInChI=1S/C18H19N7O/c26-18(22-14-6-2-1-3-7-14)21-13-12-20-16-9-10-17(25-24-16)23-15-8-4-5-11-19-15/h1-11H,12-13H2,(H,20,24)(H,19,23,25)(H2,21,22,26)
InChIKeyXRIYBVSUCSNILG-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.85
Rot. Bonds7

About 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea

1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea (PubChem CID 121064857) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
PubChem CID121064857
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)Nc1ccccc1
InChIInChI=1S/C18H19N7O/c26-18(22-14-6-2-1-3-7-14)21-13-12-20-16-9-10-17(25-24-16)23-15-8-4-5-11-19-15/h1-11H,12-13H2,(H,20,24)(H,19,23,25)(H2,21,22,26)
InChIKeyXRIYBVSUCSNILG-UHFFFAOYSA-N
XLogP2.85
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064952
1-naphthalen-2-yl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064948
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 42111816
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064919
2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288891
2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
1-(4-tert-butylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122289294
1-(4-ethylphenyl)-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122314995
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
1-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42111656

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea (CID 121064857) is 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea is O=C(NCCNc1ccc(Nc2ccccn2)nn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The InChIKey is XRIYBVSUCSNILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c26-18(22-14-6-2-1-3-7-14)21-13-12-20-16-9-10-17(25-24-16)23-15-8-4-5-11-19-15/h1-11H,12-13H2,(H,20,24)(H,19,23,25)(H2,21,22,26).
What are the key properties of 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea has a molecular weight of 349.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea is sourced from PubChem (CID 121064857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).